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02SRC649 - C26H20FeN2O2

Sample Originator: Ian R. Butlera.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University of Wales, Bangora
University of Southamptonb

C26H20FeN2O2

InChI=1/C13H11NO.C13H10NO.Fe/c2*15-13(12-7-3-4-10-14-12)9-8-11-5-1-2-6-11;/h1-11H;1-10H;/b2*9-8+;

Identification Number:10.5258/ecrystals/907
Date Created:16 October 2002
Deposited On:24 Sep 2013 22:19
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC26 H20 Fe N2 O2
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a13.0933(5)
Cell length b10.3440(4)
Cell length c15.4112(7)
Cell angle alpha90.00
Cell angle beta111.319(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0357
R Factor (All)0.0511
Weighted R Factor (Obs)0.0844
Weighted R Factor (All)0.0920

Citation: Butler, Ian R. and Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/907)
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